2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline

C15H17NO2S — CID 81186594

IUPAC2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline
SMILESCOc1ccc(CS(=O)c2cccc(C)c2N)cc1
InChIInChI=1S/C15H17NO2S/c1-11-4-3-5-14(15(11)16)19(17)10-12-6-8-13(18-2)9-7-12/h3-9H,10,16H2,1-2H3
InChIKeyFVBKLSMIGNBLHR-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.89
Rot. Bonds4

About 2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline

2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline (PubChem CID 81186594) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline
PubChem CID81186594
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline
SMILESCOc1ccc(CS(=O)c2cccc(C)c2N)cc1
InChIInChI=1S/C15H17NO2S/c1-11-4-3-5-14(15(11)16)19(17)10-12-6-8-13(18-2)9-7-12/h3-9H,10,16H2,1-2H3
InChIKeyFVBKLSMIGNBLHR-UHFFFAOYSA-N
XLogP2.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)methylsulfinyl]-6-methylaniline
CID 81186937
5-[(2-amino-3-methylphenyl)sulfinylmethyl]-2-methoxybenzonitrile
CID 81187266
4-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 61368872
1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene
CID 40517522
3-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 81181267
[4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine
CID 81328972
5-fluoro-2-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 81184508
2-[(4-methoxyphenyl)methoxy]-6-methylaniline
CID 43381877
2-[2-(4-bromophenoxy)ethylsulfinyl]-6-methylaniline
CID 81187182
2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline
CID 81186674
2-(cyclopropylmethylsulfinyl)-6-methylaniline
CID 81187064
2-[(2-chloro-6-fluorophenyl)methylsulfinyl]-6-methylaniline
CID 81187520

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline?
The IUPAC name of 2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline (CID 81186594) is 2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline?
The canonical SMILES for 2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline is COc1ccc(CS(=O)c2cccc(C)c2N)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline?
The InChIKey is FVBKLSMIGNBLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-4-3-5-14(15(11)16)19(17)10-12-6-8-13(18-2)9-7-12/h3-9H,10,16H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline?
2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline has a molecular weight of 275.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline is sourced from PubChem (CID 81186594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).